7WIB

The THF-II riboswitch bound to THF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-18
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	66.623, 66.623, 89.967
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.850 - 2.830
R-factor	0.2028
Rwork	0.201
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wi9
RMSD bond length	0.002
RMSD bond angle	0.491
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.830	7.730	2.850
Rmerge	0.109	0.091	0.837
Rmeas	0.115
Number of reflections	5768	529	541
<I/σ(I)>	11.8
Completeness [%]	99.8	98.3	100
Redundancy	8.1	5.8	8.9
CC(1/2)	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100mM sodium citrate pH6.5, 1.5-2.5M Ammonium Sulfate